期刊
JOURNAL OF CHEMICAL PHYSICS
卷 132, 期 5, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3306345
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资金
- NIH [GM070987]
The weighted ensemble method, introduced by Huber and Kim [Biophys. J. 70, 97 (1996)], is one of a handful of rigorous approaches to path sampling of rare events. Expanding earlier discussions, we show that the technique is statistically exact for a wide class of Markovian and non-Markovian dynamics. The derivation is based on standard path-integral (path probability) ideas, but recasts the weighted-ensemble approach as simple resampling in path space. Similar reasoning indicates that arbitrary nonstatic binning procedures, which merely guide the resampling process, are also valid. Numerical examples confirm the claims, including the use of bins which can adaptively find the target state in a simple model. (c) 2010 American Institute of Physics. [doi:10.1063/1.3306345]
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